precursor
Showing entry for Oxyresveratrol (cis-)
Identification
- PhytoHub ID
- PHUB000336
- Name
- Oxyresveratrol (cis-)
- Synonyms
- cis-Oxyresveratrol
- CAS Number
- Not Available
- Average Mass
- 244.246
- Monoisotopic Mass
- 244.073558866
- Chemical Formula
- C14H12O4
- IUPAC Name
- 4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
- InChI Key
- PDHAOJSHSJQANO-UPHRSURJSA-N
- InChI Identifier
InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1-
- SMILES
[H]\C(=C(/[H])C1=CC=C(O)C=C1O)C1=CC(O)=CC(O)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.02e-01 g/l
- LogS (ALOGPS)
- -3.38
- LogP (ALOGPS)
- 2.06
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 2
- Polar Surface Area
- 80.92
- Refractivity
- 69.43640000000002
- Polarizability
- 24.461581762626743
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.644739694148101
- pKa (strongest acidic)
- 8.848038163928706
Taxonomy
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Red wine | Beverages, Alcoholic | Publications | Show | |
Rosé wine | Beverages, Alcoholic | Publications | Show | |
White wine | Beverages, Alcoholic | Publications | Show |
Metabolism
No metabolism information available